CID 462143

Pteridine compound, 16

Structural Information

Molecular Formula
C19H17Cl2N7
SMILES
CC1=C(N=C2C(=NC(=NC2=N1)N)N)CN(C)C3=CC4=CC(=CC(=C4C=C3)Cl)Cl
InChI
InChI=1S/C19H17Cl2N7/c1-9-15(25-16-17(22)26-19(23)27-18(16)24-9)8-28(2)12-3-4-13-10(6-12)5-11(20)7-14(13)21/h3-7H,8H2,1-2H3,(H4,22,23,24,26,27)
InChIKey
NJAGEILJHVESNB-UHFFFAOYSA-N
Compound name
6-[[(5,7-dichloronaphthalen-2-yl)-methylamino]methyl]-7-methylpteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.09225 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.09953 198.1
[M+Na]+ 436.08147 210.8
[M-H]- 412.08497 201.9
[M+NH4]+ 431.12607 206.6
[M+K]+ 452.05541 202.3
[M+H-H2O]+ 396.08951 187.2
[M+HCOO]- 458.09045 208.4
[M+CH3COO]- 472.10610 206.9
[M+Na-2H]- 434.06692 203.4
[M]+ 413.09170 203.5
[M]- 413.09280 203.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.